⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL7760825 | 0.74 | — | — | |
| SCHEMBL11196917 | 0.74 | — | — | |
| SCHEMBL601673 | 0.67 | PARP1 (0.33) | — | |
| SCHEMBL600537 | 0.67 | HDAC8 (0.31) | — | |
| SCHEMBL21255721 | 0.67 | — | — | |
| SCHEMBL10854320 | 0.64 | ALDH1A1 (0.40) | — | |
| SCHEMBL7601790 | 0.64 | AOC3 (0.31) | — | |
| SCHEMBL5102051 | 0.61 | RHEB (0.56) | — | |
| SCHEMBL593696 | 0.61 | AHR (0.50) | — | |
| SCHEMBL21921136 | 0.60 | CFB (0.34) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3856749-B1 | WATER-SOLUBLE, NON-AGGREGATED SILICON PHTALGCYANINE COMPOUND HAVING IN VITRO ANTICANCER EFFECT AGAINST CANCER TYPES OF LUNG, LIVER, BREST AND MELANOMA | KARADENIZ TEKNIK UNIV (TR) | 2024-05-01 | — | — | EP | disclosed |